Frank von Delft wrote:
So, what statistic do we want to look at? That depends on what you
are trying to do with the data. There is no way for Phil to know
this, so it is good that he prints out lots of different
statistics. That said, when talking about the data quality
requirements for structure solution by MAD/SAD, I suggest looking at
I/sigma(I) where:
I - merged intensity (proportional to photons) assigned to a
reciprocal lattice point (hkl index)
Does ANY program print this out...?
SCALA calls this "Mn(I/sd)". Sounds like d*TREK calls it "I/sig avg".
With HKL you compute it "by hand" from the average I and average
"error". Not sure about XDS...
-James Holton
MAD Scientist
